[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]-pyrrolo[1,2-a]pyrazin-1-ylmethanone

C18H19N5O — CID 110087770

IUPAC[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]-pyrrolo[1,2-a]pyrazin-1-ylmethanone
SMILESO=C(c1nccn2cccc12)N1CCC(Cc2ncccn2)CC1
InChIInChI=1S/C18H19N5O/c24-18(17-15-3-1-9-22(15)12-8-21-17)23-10-4-14(5-11-23)13-16-19-6-2-7-20-16/h1-3,6-9,12,14H,4-5,10-11,13H2
InChIKeyAYGMDQQVVSKLCT-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.22
Rot. Bonds3

About [4-(pyrimidin-2-ylmethyl)piperidin-1-yl]-pyrrolo[1,2-a]pyrazin-1-ylmethanone

[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]-pyrrolo[1,2-a]pyrazin-1-ylmethanone (PubChem CID 110087770) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is [4-(pyrimidin-2-ylmethyl)piperidin-1-yl]-pyrrolo[1,2-a]pyrazin-1-ylmethanone.

Molecular Properties

Compound Name[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]-pyrrolo[1,2-a]pyrazin-1-ylmethanone
PubChem CID110087770
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]-pyrrolo[1,2-a]pyrazin-1-ylmethanone
SMILESO=C(c1nccn2cccc12)N1CCC(Cc2ncccn2)CC1
InChIInChI=1S/C18H19N5O/c24-18(17-15-3-1-9-22(15)12-8-21-17)23-10-4-14(5-11-23)13-16-19-6-2-7-20-16/h1-3,6-9,12,14H,4-5,10-11,13H2
InChIKeyAYGMDQQVVSKLCT-UHFFFAOYSA-N
XLogP2.22
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(pyrimidin-2-ylmethyl)piperidin-1-yl]-pyrrolo[1,2-a]pyrazin-1-ylmethanone with MolForge

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Related Compounds

1H-pyrazol-5-yl-[(4S)-4-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)azepan-1-yl]methanone
CID 124955498
(3-hydroxy-2-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205969
[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]-[(4S)-4-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)azepan-1-yl]methanone
CID 124955152
2-[(4R)-1-(imidazo[1,2-a]pyrazine-8-carbonyl)azepan-4-yl]acetic acid
CID 129489773
2-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 104741733
3-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217819
[4-(ethylaminomethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 80552354
(4-ethoxypiperidin-1-yl)-imidazo[1,2-a]pyridin-8-ylmethanone
CID 71880449
pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124970603
2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 55248178
[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
CID 124986654
N-[[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102736180

Frequently Asked Questions

What is the IUPAC name of [4-(pyrimidin-2-ylmethyl)piperidin-1-yl]-pyrrolo[1,2-a]pyrazin-1-ylmethanone?
The IUPAC name of [4-(pyrimidin-2-ylmethyl)piperidin-1-yl]-pyrrolo[1,2-a]pyrazin-1-ylmethanone (CID 110087770) is [4-(pyrimidin-2-ylmethyl)piperidin-1-yl]-pyrrolo[1,2-a]pyrazin-1-ylmethanone.
What is the SMILES notation for [4-(pyrimidin-2-ylmethyl)piperidin-1-yl]-pyrrolo[1,2-a]pyrazin-1-ylmethanone?
The canonical SMILES for [4-(pyrimidin-2-ylmethyl)piperidin-1-yl]-pyrrolo[1,2-a]pyrazin-1-ylmethanone is O=C(c1nccn2cccc12)N1CCC(Cc2ncccn2)CC1.
What is the InChIKey of [4-(pyrimidin-2-ylmethyl)piperidin-1-yl]-pyrrolo[1,2-a]pyrazin-1-ylmethanone?
The InChIKey is AYGMDQQVVSKLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-18(17-15-3-1-9-22(15)12-8-21-17)23-10-4-14(5-11-23)13-16-19-6-2-7-20-16/h1-3,6-9,12,14H,4-5,10-11,13H2.
What are the key properties of [4-(pyrimidin-2-ylmethyl)piperidin-1-yl]-pyrrolo[1,2-a]pyrazin-1-ylmethanone?
[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]-pyrrolo[1,2-a]pyrazin-1-ylmethanone has a molecular weight of 321.38 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrimidin-2-ylmethyl)piperidin-1-yl]-pyrrolo[1,2-a]pyrazin-1-ylmethanone is sourced from PubChem (CID 110087770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).